calculating displacement vector between two points

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Batuhan Kav

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Jun 21, 2022, 5:08:05 AMJun 21
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Hi All,

I would like to calculate the displacement vector between two points. In my case, I am interested in the a-b vector, instead of the magnitude of it as calculated by the distance routines. Is there already a way to do this in MDAnalysis which also uses the box dimensions?

Thank you.
Batuhan

richard...@gmail.com

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Jun 21, 2022, 5:14:52 AMJun 21
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Hi Batuhan

We recently added minimize_vectors which I think is what you're looking for:


Best,
Richard

Batuhan Kav

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Jun 21, 2022, 5:30:20 AMJun 21
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Hi Richard,

Thank you very much for this quick response. Indeed, the minimize_vectors is exacly what I've been looking for!

Best,
Batuhan

21 Haziran 2022 Salı tarihinde saat 11:14:52 UTC+2 itibarıyla richard...@gmail.com şunları yazdı:
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